Publications | Fritz Haber Institute of the Max Planck Society

Fritz Haber Institute of the Max Planck Society

Journal Article (267)

2015

Journal Article

Schubert, F., K. Pagel, M. Rossi, S. Warnke, M. Salwiczek, B. Koksch, G.von Helden, V. Blum, C. Baldauf and M. Scheffler: Native like helices in a specially designed β peptide in the gas phase. Physical Chemistry Chemical Physics 17 (7), 5376–5385 (2015).

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Schubert, F., M. Rossi, C. Baldauf, K. Pagel, S. Warnke, G.von Helden, F. Filsinger, P. Kupser, G. Meijer, M. Salwiczek, B. Koksch, M. Scheffler and V. Blum: Exploring the conformational preferences of 20-residue peptides in isolation: Ac-Ala₁₉-Lys + H⁺ vs. Ac-Lys-Ala₁₉ + H⁺ and the current reach of DFT. Physical Chemistry Chemical Physics 17 (11), 7373–7385 (2015).

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Schumann, J., M. Eichelbaum, T. Lunkenbein, N. Thomas, M.C. Alvarez Galvan, R. Schlögl and M. Behrens: Promoting Strong Metal Support Interaction: Doping ZnO for Enhanced Activity of Cu/ZnO:M (M = Al, Ga, Mg) Catalysts. ACS Catalysis 5 (6), 3260–3270 (2015).

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Schwach, P., N. Hamilton, L. Thum, T. Lunkenbein, R. Schlögl and A. Trunschke: Structure sensitivity of the oxidative activation of methane over MgO model catalysts: I. Kinetic study. Journal of Catalysis 329, 560–573 (2015).

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Schwach, P., N. Hamilton, L. Thum, T. Lunkenbein, R. Schlögl and A. Trunschke: Structure sensitivity of the oxidative activation of methane over MgO model catalysts: II. Nature of active sites and reaction mechanism. Journal of Catalysis 329, 574–587 (2015).

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Selmani, A., M. Špadina, M. Plodinec, I. Delač Marion, M.G. Willinger, J. Lützenkirchen, H.D. Gafney and E. Redel: An Experimental and Theoretical Approach to Understanding the Surface Properties of One-Dimensional TiO₂ Nanomaterials. The Journal of Physical Chemistry C 119 (34), 19729–19742 (2015).

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Sezen, H., H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke and C. Wöll: Evidence for photogenerated intermediate hole polarons in ZnO. Nature Communications 6 (4), 6901 (2015).

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Sforzini, J., L. Nemec, T. Denig, B. Stadtmüller, T.-L. Lee, C. Kumpf, S. Soubatch, U. Starke, P. Rinke, V. Blum, F.C. Bocquet and F.S. Tautz: Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6H-SiC(0001). Physical Review Letters 114 (10), 106804 (2015).

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Shaikhutdinov, S.K. and H.-J. Freund: Ultra-thin silicate films on metals. Journal of Physics: Condensed Matter 27 (44), 443001 (2015).

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Sharma, K. and B. Friedrich: Directional properties of polar paramagnetic molecules subject to congruent electric, magnetic and optical fields. New Journal of Physics 17 (4), 045017 (2015).

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Sinai, O., O.T. Hofmann, P. Rinke, M. Scheffler, G. Heimel and L. Kronik: Multiscale approach to the electronic structure of doped semiconductor surfaces. Physical Review B 91 (7), 075311 (2015).

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Snyder, J.C., M. Rupp, K.-R. Müller and K. Burke: Nonlinear gradient denoising: Finding accurate extrema from inaccurate functional derivatives. International Journal of Quantum Chemistry 115 (16), 1102–1114 (2015).

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Söllradl, S., M. Greiwe, V.J. Bukas, M.R. Buchner, M. Widenmeyer, T. Kandemir, T. Zweifel, A. Senyshyn, S. Günther, T. Nilges, A. Türler and R. Niewa: Nitrogen-Doping in ZnO via Combustion Synthesis? Chemistry of Materials 27 (12), 4188–4195 (2015).

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Spiel, C., D. Vogel, R. Schlögl, G. Rupprechter and Y. Suchorski: Spatially coupled catalytic ignition of CO oxidation on Pt: mesoscopic versus nano-scale. Ultramicroscopy 159, Pt. 2, 178–183 (2015).

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Stacchiola, D., M. Sterrer, S.D. Senanayake and P. Liu: Oxides in Catalysis. Catalysis Today 240, Pt. B, 183–183 (2015).

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Stähler, J., J.-C. Deinert, D. Wegkamp, S. Hagen and M. Wolf: Real-Time Measurement of the Vertical Binding Energy during the Birth of a Solvated Electron. Journal of the American Chemical Society 137 (10), 3520–3524 (2015).

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Stiehler, C., F. Calaza, W.-D. Schneider, N. Nilius and H.-J. Freund: Molecular Adsorption Changes the Quantum Structure of Oxide-Supported Gold Nanoparticles: Chemisorption versus Physisorption. Physical Review Letters 115 (3), 036804 (2015).

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Struwe, W.B., J.L. Benesch, D.J. Harvey and K. Pagel: Collision cross sections of high-mannose N-glycans in commonly observed adduct states – identification of gas-phase conformers unique to [M − H]^- ions. Analyst 140 (20), 6799–6803 (2015).

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Stuckenholz, S., C. Büchner, M. Heyde and H.-J. Freund: MgO on Mo(001): Local Work Function Measurements above Pristine Terrace and Line Defect Sites. The Journal of Physical Chemistry C 119 (22), 12283–12290 (2015).

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Studt, F., M. Behrens, E.L. Kunkes, N. Thomas, S. Zander, A. Tarasov, J. Schumann, E. Frei, J.B. Varley, F. Abild-Pedersen, J.K. Nørskov and R. Schlögl: The Mechanism of CO and CO₂ Hydrogenation to Methanol over Cu-Based Catalysts. ChemCatChem 7 (7), 1105–1111 (2015).

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Studt, F., M. Behrens, E.L. Kunkes, N. Thomas, S. Zander, A. Tarasov, J. Schumann, E. Frei, J.B. Varley, F. Abild-Pedersen, J.K. Nørskov and R. Schlögl: Back Cover: The Mechanism of CO and CO₂ Hydrogenation to Methanol over Cu-Based Catalysts. ChemCatChem 7 (7), 1232–1232 (2015).

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Su, D.S., B.S. Zhang and R. Schlögl: Electron Microscopy of Solid Catalysts—Transforming from a Challenge to a Toolbox. Chemical Reviews 115 (8), 2818–2882 (2015).

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Sun, S.-T., L. Jiang, J.W. Liu, N. Heine, T.I. Yacovitch, T. Wende, K.R. Asmis, D.M. Neumark and Z.-F. Liu: Microhydrated dihydrogen phosphate clusters probed by gas phase vibrational spectroscopy and first principles calculations. Physical Chemistry Chemical Physics 17 (39), 25714–25724 (2015).

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Supady, A., V. Blum and C. Baldauf: First-Principles Molecular Structure Search with a Genetic Algorithm. Journal of Chemical Information and Modeling 55 (11), 2338–2348 (2015).

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Tkatchenko, A.: Current Understanding of Van der Waals Effects in Realistic Materials. Advanced Functional Materials 25 (13), 2054–2061 (2015).

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Tong, Y., Q. Peng, T. Ma, T. Nishida and S. Ye: Photocatalytic oxidation of the organic monolayers on TiO₂ surface investigated by in-situ sum frequency generation spectroscopy. APL Materials 3 (10), 104402 (2015).

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Tong, Y., J. Wirth, H. Kirsch, M. Wolf, P. Saalfrank and R.K. Campen: Optically probing Al-O and O-H vibrations to characterize water adsorption and surface reconstruction on α-alumina: An experimental and theoretical study. The Journal of Chemical Physics 142 (5), 054704 (2015).

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Urner, L.H., B.N.S. Thota, O. Nachtigall, S. Warnke, G.von Helden, R. Haag and K. Pagel: Online monitoring the isomerization of an azobenzene-based dendritic bolaamphiphile using ion mobility-mass spectrometry. Chemical Communications 51 (42), 8801–8804 (2015).

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van Setten, M.J., F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J.R. Deslippe, S.G. Louie, C. Yang, F. Weigend, J.B. Neaton, F. Evers and P. Rinke: GW100: Benchmarking G₀W₀ for Molecular Systems. Journal of Chemical Theory and Computation 11 (12), 5665–5687 (2015).

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Velasco Vélez, J., V. Pfeifer, M. Hävecker, R.S. Weatherup, R. Arrigo, C.-H. Chuang, E. Stotz, G. Weinberg, M. Salmeron, R. Schlögl and A. Knop-Gericke: Photoelectron Spectroscopy at the Graphene–Liquid Interface Reveals the Electronic Structure of an Electrodeposited Cobalt/Graphene Electrocatalyst. Angewandte Chemie International Edition 54 (48), 14554–14558 (2015).

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Velasco Vélez, J., V. Pfeifer, M. Hävecker, R.S. Weatherup, R. Arrigo, C.-H. Chuang, E. Stotz, G. Weinberg, M. Salmeron, R. Schlögl and A. Knop-Gericke: Photoelektronenspektroskopie an der Graphen-Flüssigelektrolyt-Grenzfläche zur Bestimmung der elektronischen Struktur eines elektrochemisch abgeschiedenen Cobalt/Graphen-Elektrokatalysators. Angewandte Chemie 127 (48), 14762–14766 (2015).

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Villa, A., D. Wang, D.S. Su and L. Prati: New challenges in gold catalysis: bimetallic systems. Catalysis Science & Technology 5 (1), 55–68 (2015).

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Waldecker, L., R. Bertoni and R. Ernstorfer: Compact femtosecond electron diffractometer with 100 keV electron bunches approaching the single-electron pulse duration limit. Journal of Applied Physics 117 (4), 044903 (2015).

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Waldecker, L., T.A. Miller, M. Rudé, R. Bertoni, J. Osmond, V. Pruneri, R. Simpson, R. Ernstorfer and S. Wall: Time-domain separation of optical properties from structural transitions in resonantly bonded materials. Nature Materials 14 (10), 991–995 (2015).

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Wang, T. and K. Reuter: Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO₂(111). The Journal of Chemical Physics 143 (20), 204702 (2015).

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Wang, Z., L. Heinke, J. Jelic, M. Cakici, M. Dommaschk, R.J. Maurer, H. Oberhofer, S. Grosjean, R. Herges, S. Bräse, K. Reuter and C. Wöll: Photoswitching in nanoporous, crystalline solids: an experimental and theoretical study for azobenzene linkers incorporated in MOFs. Physical Chemistry Chemical Physics 17 (22), 14582–14587 (2015).

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Wang, Z.-J., G. Weinberg, Q. Zhang, T. Lunkenbein, A. Klein-Hoffmann, M. Kurnatowska, M. Plodinec, Q. Li, L. Chi, R. Schlögl and M.G. Willinger: Direct Observation of Graphene Growth and Associated Copper Substrate Dynamics by in Situ Scanning Electron Microscopy. ACS Nano 9 (2), 1506–1519 (2015).

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Warnke, S., G.von Helden and K. Pagel: Analyzing the higher order structure of proteins with conformer-selective ultraviolet photodissociation. Proteomics 15 (16), 2804–2812 (2015).

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Warnke, S., J. Seo, J. Boschmans, F. Sobott, J.H. Scrivens, C. Bleiholder, M.T. Bowers, S. Gewinner, W. Schöllkopf, K. Pagel and G.von Helden: Protomers of Benzocaine: Solvent and Permittivity Dependence. Journal of the American Chemical Society 137 (12), 4236–4242 (2015).

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Weatherup, R.S., L. D’Arsié, A. Cabrero-Vilatela, S. Caneva, R. Blume, J. Robertson, R. Schlögl and S. Hofmann: Long-Term Passivation of Strongly Interacting Metals with Single-Layer Graphene. Journal of the American Chemical Society 137 (45), 14358–14366 (2015).

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Wegkamp, D. and J. Stähler: Ultrafast dynamics during the photoinduced phase transition in VO₂. Progress in Surface Science 90 (4), 464–502 (2015).

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Wen, G., J. Diao, S. Wu, W. Yang, R. Schlögl and D.S. Su: Acid Properties of Nanocarbons and Their Application in Oxidative Dehydrogenation. ACS Catalysis 5 (6), 3600–3608 (2015).

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Willenbockel, M., R.J. Maurer, C. Bronner, M. Schulze, B. Stadtmüller, S. Soubatch, P. Tegeder, K. Reuter and F.S. Tautz: Coverage-driven dissociation of azobenzene on Cu(111): a route towards defined surface functionalization. Chemical Communications 51 (83), 15324–15327 (2015).

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Willinger, E., V. Sinitsyn, S. Khasanov, B. Redkin, S. Shmurak and E. Ponyatovsky: Origin of “memory glass” effect in pressure-amorphized rare-earth molybdate single crystals. Journal of Solid State Chemistry 222, 1–6 (2015).

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Willinger, M.G., J. Polleux, M. Antonietti, H. Cölfen, N. Pinna and N. Nassif: Structural evolution of aragonite superstructures obtained in the presence of the siderophore deferoxamine. CrystEngComm 17 (21), 3927–3935 (2015).

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Wolke, C.T., F.S. Menges, N. Toetsch, O. Gorlova, J.A. Fournier, G.H. Weddle, M.A. Johnson, N. Heine, T. Esser, H. Knorke, K.R. Asmis, A.B. McCoy, D.J. Arismendi-Arrieta, R. Prosmiti and F. Paesani: Thermodynamics of Water Dimer Dissociation in the Primary Hydration Shell of the Iodide Ion with Temperature-Dependent Vibrational Predissociation Spectroscopy. The Journal of Physical Chemistry A 119 (10), 1859–1866 (2015).

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Wu, S., G. Wen, R. Schlögl and D.S. Su: Carbon nanotubes oxidized by a green method as efficient metal-free catalysts for nitroarene reduction. Physical Chemistry Chemical Physics 17 (3), 1567–1571 (2015).

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Xia, J., D. Zhu, L. Wang, B. Huang, X. Huang and X.-M. Meng: Large-Scale Growth of Two-Dimensional SnS₂ Crystals Driven by Screw Dislocations and Application to Photodetectors. Advanced Functional Materials 25 (27), 4255–4261 (2015).

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Xia, Z., S. Wang, L. Jiang, H. Sun, S. Liu, X. Fu, B.S. Zhang, D.S. Su, J. Wang and G. Sun: Bio-inspired Construction of Advanced Fuel Cell Cathode with Pt Anchored in Ordered Hybrid Polymer Matrix. Scientific Reports 5, 16100 (2015).

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Xie, Z.-L. and D.S. Su: Ionic Liquid Based Approaches to Carbon Materials Synthesis. European Journal of Inorganic Chemistry 2015 (7), 1137–1147 (2015).

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